Geometry & MOs

Info

ID:	335148
PubChem CID:	127254009
Reduced:	N2O4H24C27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	433.138619
ΔH_f, kcal/mol:	-54.3
Dipole, Da:	4.53
IP(EA), eV:	-8.28(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-pyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNC5=CC=CC=C5)OC

DOS

IR

Vibrations